Glycoside
GD098616
Name:
NoneFormula:
C21H26O8N2S2Smiles:
CN(CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)S(=O)(=O)c1ccccc1Aglycone:
CN(CC(=O)Nc1ccc(S)cc1)S(=O)(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 498.58 | Num_heavy_atoms: | 33 |
| TPSA: | 156.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD41942
Formula: C15H16O3N2S2
Smiles:
CN(CC(=O)Nc1ccc(S)cc1)S(=O)(=O)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.44 | Num_heavy_atoms: | 22 |
| TPSA: | 66.48 | NumAromaticRings: | 2 |
